Model name: model_name=EAM_Dynamo_SunZhangMendelev_2022_Fe__MO_044341472608_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.84364253282547
cohesive_energy=4.0219588042344245
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

========================================
theta = 0.0
========================================

Energy: 0.012561526787128983
Energy: 0.012974328520523666
Energy: 0.6736141344344468
Energy: 0.012974328519538184
Energy: 0.012974328519538184
Energy: 0.013347990801265865
Energy: 0.31445157318338773
Energy: 0.013347990801265865
Energy: 0.673615175604386
Energy: 0.31445157318338773
Energy: 0.31436599128082393
Energy: 0.31445157318338773
Energy: 0.012974328520523666
Energy: 0.013347990801265865
Energy: 0.31445157318338773
Energy: 0.013347990802251346

minimum gb energy = 0.012561526787128983 eV
minimum distance =  2.4561139775926 Angstroms
sigma value = 1


========================================
theta = 14.250032697803595
========================================

Energy: 0.5898265341885238
Energy: 0.6909010431826444
Energy: 0.7508340558438589
Energy: 0.6909010431875618
Energy: 0.6584800140757607
Energy: 0.6802345818466837
Energy: 0.47433086188081625
Energy: 0.6802345818405372
Energy: 0.6486761785202814
Energy: 0.4603258349962687
Energy: 0.45544125343273406
Energy: 0.4603258349974981
Energy: 0.5645799604231982
Energy: 0.6406966314743997
Energy: 0.4803901223354987
Energy: 0.6406966314743997
Energy: 0.5631264834735955
Energy: 0.6619264787336434
Energy: 0.6070717625335266
Energy: 0.6619264787361021
Energy: 0.6516126377871745
Energy: 0.5828420073555354
Energy: 0.4829713827566149
Energy: 0.5828420073543061
Energy: 0.5467662036346448
Energy: 0.6542959505849376
Energy: 0.48366337628410105
Energy: 0.6542959505837083
Energy: 0.491660720457033
Energy: 0.5123861603211248
Energy: 0.5798861529696807
Energy: 0.512386160318666
Energy: 0.5173699136442205
Energy: 0.6126731742166588
Energy: 0.6123697924176854
Energy: 0.6126731742154294
Energy: 0.5207606037261363
Energy: 0.6499795651166828
Energy: 0.5176853583227655
Energy: 0.6499795651142241
Energy: 0.47711206570020626
Energy: 0.608555388325819
Energy: 0.5571763782861929
Energy: 0.6085553883233603
Energy: 0.4725167848256465
Energy: 0.47331961566673225
Energy: 0.7040612396506266
Energy: 0.4733196156704203
Energy: 0.5363087779236319
Energy: 0.6470986606189811
Energy: 0.5753684800121204
Energy: 0.6470986606189811
Energy: 0.4791733587480214
Energy: 0.6658759729897861
Energy: 0.5846544548331317
Energy: 0.665875972986098
Energy: 0.47248607187549785
Energy: 0.556459263866857
Energy: 0.6521137361047051
Energy: 0.5564592638656277
Energy: 0.4699919637180539
Energy: 0.6199233718616257
Energy: 0.6481691216848098
Energy: 0.6199233718653137
Energy: 0.478983843890841
Energy: 0.6770445029084827
Energy: 0.5835043266909925
Energy: 0.6770445029109413
Energy: 0.5292312669426948
Energy: 0.6700569605812108
Energy: 0.5764236054915743
Energy: 0.6700569605799814
Energy: 0.48185918197093547
Energy: 0.4735191877655031
Energy: 0.6494671727999812
Energy: 0.4735191877655031
Energy: 0.48677230698866614
Energy: 0.6028556720701959
Energy: 0.5301896817820514
Energy: 0.6028556720751131
Energy: 0.6546572206330327
Energy: 0.6531203916799756
Energy: 0.507673917583044
Energy: 0.6531203916836635
Energy: 0.5162544326734055
Energy: 0.5703640752221482
Energy: 0.6198167836494597
Energy: 0.5703640752246067
Energy: 0.5039562447578205
Energy: 0.5128499767423935
Energy: 0.5301448199595453
Energy: 0.5128499767411642
Energy: 0.5986618047899576
Energy: 0.6437967511701059
Energy: 0.48267907018176703
Energy: 0.6437967511725645
Energy: 0.6505796323451208
Energy: 0.583918964638413
Energy: 0.4776496114042336
Energy: 0.583918964642101
Energy: 0.5585726257011423
Energy: 0.6537785781786242
Energy: 0.6371024278452111
Energy: 0.6537785781749362
Energy: 0.5642613463722441
Energy: 0.6416917900119149
Energy: 0.47985832594619876
Energy: 0.6416917900094562
Energy: 0.6613475535958376
Energy: 0.46026177535812746
Energy: 0.4551558828080206
Energy: 0.46026177535689816
Energy: 0.6684427629774524
Energy: 0.6811252127978753
Energy: 0.4744317511337877
Energy: 0.6811252128040219
Energy: 0.5899689819430398
Energy: 0.6896888072773971
Energy: 0.4773049339791308
Energy: 0.6896888072810852
Energy: 0.6705149997627466
Energy: 0.6616882331069263
Energy: 0.4644489891628207
Energy: 0.6616882331069263
Energy: 0.6267850411865328
Energy: 0.49970350731158053
Energy: 0.45484704311225366
Energy: 0.4997035073152685
Energy: 0.5596303190744464
Energy: 0.6534330972315183
Energy: 0.4805202549737371
Energy: 0.6534330972327478

minimum gb energy = 0.45484704311225366 eV
minimum distance =  2.24232531017893 Angstroms
sigma value = 1


========================================
theta = 16.26020470831196
========================================

Energy: 0.5896728467043516
Energy: 0.6480613099583459
Energy: 0.7485178325846058
Energy: 0.6480613099597474
Energy: 0.6187942945126738
Energy: 0.6660292139659509
Energy: 0.48953153792854354
Energy: 0.6660292139645493
Energy: 0.6494330276208409
Energy: 0.4840919541125557
Energy: 0.49691253978797517
Energy: 0.4840919541013425
Energy: 0.5148941279663484
Energy: 0.6514621025042098
Energy: 0.49139383708621587
Energy: 0.6514621025056114
Energy: 0.5153160178926908
Energy: 0.6491197809011942
Energy: 0.6187358131430417
Energy: 0.6491197809011942
Energy: 0.6012236591861989
Energy: 0.4979660478964899
Energy: 0.4886038622698577
Energy: 0.4979660478978596
Energy: 0.493699971362636
Energy: 0.6085054852703033
Energy: 0.4873787322098159
Energy: 0.6085054852703033
Energy: 0.4879982922232996
Energy: 0.4975548998353588
Energy: 0.6103898526743973
Energy: 0.4975548998535802
Energy: 0.5112982345222583
Energy: 0.6233488497861556
Energy: 0.6025240934629829
Energy: 0.6233488497875572
Energy: 0.5943019694054419
Energy: 0.485405751870828
Energy: 0.47917747891049095
Energy: 0.4854057518722296
Energy: 0.49556237092766436
Energy: 0.6323653666648583
Energy: 0.598398472516962
Energy: 0.63236536666626
Energy: 0.48171921981955806
Energy: 0.5925794558679339
Energy: 0.666058638396823
Energy: 0.592579455863729
Energy: 0.4911577078645095
Energy: 0.6499239847648016
Energy: 0.584868640284515
Energy: 0.6499239847648016
Energy: 0.49115770786731283
Energy: 0.6498394010348978
Energy: 0.5848228451419455
Energy: 0.6498394010348978
Energy: 0.4865783876095177
Energy: 0.592794527928304
Energy: 0.6660177984365093
Energy: 0.5927945278960661
Energy: 0.49546399386070195
Energy: 0.6324034909849654
Energy: 0.598498739627335
Energy: 0.6324034909849654
Energy: 0.5943019694012368
Energy: 0.48462685850277276
Energy: 0.4791153862209775
Energy: 0.4846268585013711
Energy: 0.5113920048702632
Energy: 0.6239958754516846
Energy: 0.6026471351940595
Energy: 0.6239958754698741
Energy: 0.4881881035374703
Energy: 0.4976877067313599
Energy: 0.6103898526743973
Energy: 0.4976877067313599
Energy: 0.4972015311253285
Energy: 0.6005865130572894
Energy: 0.48918667535702665
Energy: 0.6005865130586909
Energy: 0.6583826120936472
Energy: 0.49822242922736953
Energy: 0.4879314045700696
Energy: 0.4982224292259679
Energy: 0.5151113689150041
Energy: 0.6493254248877892
Energy: 0.6187358131444433
Energy: 0.6493254248863876
Energy: 0.5147938911405696
Energy: 0.6513644182854286
Energy: 0.49139383708761747
Energy: 0.6513644182854286
Energy: 0.6494400768975624
Energy: 0.4842251536195508
Energy: 0.4968653070704586
Energy: 0.4842251536195508
Energy: 0.6188311923448786
Energy: 0.6655924503248927
Energy: 0.4895315379299452
Energy: 0.665592450323491
Energy: 0.5896728467057534
Energy: 0.6480613099597474
Energy: 0.7485178325860075
Energy: 0.6480613099597474
Energy: 0.6187942945140753
Energy: 0.6660292139645493
Energy: 0.48953153792854354
Energy: 0.6660292139659509
Energy: 0.6494330276208409
Energy: 0.4840919540957359
Energy: 0.49691253978797517
Energy: 0.48409195409293265
Energy: 0.5148941279663484
Energy: 0.6514621025056114
Energy: 0.4913938370890191
Energy: 0.6514621025042098

minimum gb energy = 0.4791153862209775 eV
minimum distance =  2.22952537048478 Angstroms
sigma value = 25


========================================
theta = 18.924644416051233
========================================

Energy: 0.58393276223387
Energy: 0.6942677543784049
Energy: 0.7365353085568038
Energy: 0.6942677543784049
Energy: 0.6686102714674164
Energy: 0.546809880500219
Energy: 0.5070793852994621
Energy: 0.546809880500219
Energy: 0.6401535320328817
Energy: 0.49569692779697605
Energy: 0.496801313882477
Energy: 0.49569692779860547
Energy: 0.5506134198343569
Energy: 0.627634535408751
Energy: 0.49767875967408554
Energy: 0.6276345354120098
Energy: 0.5549458944147112
Energy: 0.5350456426305874
Energy: 0.5871253568801973
Energy: 0.5350456426338461
Energy: 0.6222538198991694
Energy: 0.5048724493811139
Energy: 0.5007989299503017
Energy: 0.5048724493811139
Energy: 0.49768794713782405
Energy: 0.6213145086588777
Energy: 0.4925135661951306
Energy: 0.6213145086572482
Energy: 0.4912927252787013
Energy: 0.4902103875221826
Energy: 0.6789707831659043
Energy: 0.49021038752377494
Energy: 0.504710199044475
Energy: 0.6809736094977705
Energy: 0.5656083679833731
Energy: 0.6809736094993998
Energy: 0.4911266896639411
Energy: 0.6591013608308915
Energy: 0.5695548544476204
Energy: 0.6591013608308915
Energy: 0.49135825186851956
Energy: 0.6353815582316027
Energy: 0.6403115836757467
Energy: 0.6353815582316027
Energy: 0.48661321182446704
Energy: 0.6320978634629875
Energy: 0.6402725743813703
Energy: 0.6320978634646168
Energy: 0.5106440529130816
Energy: 0.6600782668907397
Energy: 0.5678965705080241
Energy: 0.6600782668939985
Energy: 0.533951318911571
Energy: 0.6588270392767901
Energy: 0.5657063188435425
Energy: 0.6588270392865664
Energy: 0.491553918482193
Energy: 0.4894494522109839
Energy: 0.6799467876891415
Energy: 0.4894494522077622
Energy: 0.4964714418121898
Energy: 0.6482181843097795
Energy: 0.4925712639076593
Energy: 0.6482181843114089
Energy: 0.6853243717005326
Energy: 0.505231536580292
Energy: 0.5008446040163962
Energy: 0.5052315365737744
Energy: 0.5557112715737258
Energy: 0.6183053900088304
Energy: 0.5731821166981651
Energy: 0.6183053900104598
Energy: 0.5429382480063157
Energy: 0.6242398818905277
Energy: 0.49733572210220867
Energy: 0.6242398818872689
Energy: 0.5668095908423593
Energy: 0.654080170947658
Energy: 0.5002894088529645
Energy: 0.6540801709492874
Energy: 0.6679702894716646
Energy: 0.6610411181223202
Energy: 0.4966015678875967
Energy: 0.6610411181174322
Energy: 0.5850842366031391
Energy: 0.6943398174899097
Energy: 0.5815011576822424
Energy: 0.6943398174915392
Energy: 0.6595357046181791
Energy: 0.6888496988990975
Energy: 0.5060425912333646
Energy: 0.688849698900727
Energy: 0.6249475279883853
Energy: 0.49567137716301
Energy: 0.4976533531799724
Energy: 0.49567137716301
Energy: 0.5496106333596621
Energy: 0.6359555560130072
Energy: 0.4900868059777707
Energy: 0.6359555560130072

minimum gb energy = 0.48661321182446704 eV
minimum distance =  2.2316815301317 Angstroms
sigma value = 9


========================================
theta = 22.619864948040426
========================================

Energy: 0.49346446041768266
Energy: 0.6595435295982099
Energy: 0.7310138285826175
Energy: 0.6595435295986076
Energy: 0.5796450745079372
Energy: 0.6228070917304288
Energy: 0.4714379246589132
Energy: 0.6228070917304288
Energy: 0.47153493838798727
Energy: 0.5470834758132305
Energy: 0.5108924782387387
Energy: 0.5470834758136282
Energy: 0.47128996060313694
Energy: 0.5603324108201398
Energy: 0.4720892570404256
Energy: 0.5603324108203386
Energy: 0.5147337911551083
Energy: 0.5602390644553463
Energy: 0.5835090650679304
Energy: 0.5602390644510833
Energy: 0.7157875766351908
Energy: 0.5739399036814721
Energy: 0.5139543252448379
Energy: 0.5739399036805003
Energy: 0.47124164236457716
Energy: 0.5550598315265767
Energy: 0.471736390600044
Energy: 0.5550598315267754
Energy: 0.5109749202710516
Energy: 0.5472603821105143
Energy: 0.6135506622420669
Energy: 0.5472603821089461
Energy: 0.5027884929331693
Energy: 0.5548253154247589
Energy: 0.5142812969855731
Energy: 0.5548253154241845
Energy: 0.5025146254854704
Energy: 0.589340084834184
Energy: 0.5151214344782343
Energy: 0.5893420640364113
Energy: 0.47154503385129654
Energy: 0.5897272513428856
Energy: 0.6643205459540024
Energy: 0.5897272513428856
Energy: 0.5288921694479475
Energy: 0.6742947393814778
Energy: 0.47157490361850246
Energy: 0.6742947393816765
Energy: 0.5025352068986834
Energy: 0.5573351471451031
Energy: 0.4777070004058551
Energy: 0.5573351471462517
Energy: 0.4716564042419317
Energy: 0.6921127500320864
Energy: 0.4716675825705316
Energy: 0.6921127500316888
Energy: 0.4776593710295726
Energy: 0.5573700765727215
Energy: 0.5025352069045145
Energy: 0.5573700765762336
Energy: 0.47155594899603487
Energy: 0.6744343178685893
Energy: 0.5291544110788861
Energy: 0.6744343177145261
Energy: 0.6642632777082499
Energy: 0.5896682954089543
Energy: 0.47153754392848185
Energy: 0.5896682954093518
Energy: 0.5148293041928199
Energy: 0.5893493644108793
Energy: 0.5025146254831512
Energy: 0.5893628012008912
Energy: 0.5143676128061258
Energy: 0.5550003369524099
Energy: 0.5027884929337656
Energy: 0.5550003369535806
Energy: 0.61361570662917
Energy: 0.5471855164188543
Energy: 0.5109208715561628
Energy: 0.5471855164196274
Energy: 0.47180570629594565
Energy: 0.5553559984107307
Energy: 0.47170519071428907
Energy: 0.5553559984101343

minimum gb energy = 0.47124164236457716 eV
minimum distance =  2.28942797071276 Angstroms
sigma value = 25


========================================
theta = 28.072486935852957
========================================

Energy: 0.5603148368418457
Energy: 0.6526189327747077
Energy: 0.8848508972438403
Energy: 0.6526189327759095
Energy: 0.686335312917363
Energy: 0.5850437113651787
Energy: 0.5313220327213942
Energy: 0.5850437113647143
Energy: 0.4978314098073234
Energy: 0.5442140392109452
Energy: 0.5149969652065585
Energy: 0.5442140392111638
Energy: 0.5351712511656546
Energy: 0.5974937917801698
Energy: 0.5260704924061536
Energy: 0.5974937917804157
Energy: 0.4972675351158939
Energy: 0.6110735161012635
Energy: 0.6208839640428226
Energy: 0.6110735161010177
Energy: 0.544025714624018
Energy: 0.6074213524201577
Energy: 0.5264680287111846
Energy: 0.6074213524208952
Energy: 0.5156753360261572
Energy: 0.5129553927192186
Energy: 0.5271561751324458
Energy: 0.5129553927189728
Energy: 0.5408599183341695
Energy: 0.5506779274448323
Energy: 0.6706978536994955
Energy: 0.5506779274436303
Energy: 0.50832941949262
Energy: 0.6183313906827467
Energy: 0.526526804974732
Energy: 0.6183313906803427
Energy: 0.574914838041812
Energy: 0.6029390102135178
Energy: 0.5259357005410068
Energy: 0.6029390102147196
Energy: 0.5377708901245392
Energy: 0.5629975469834955
Energy: 0.5755115983204613
Energy: 0.5629975469825123
Energy: 0.4978012371283069
Energy: 0.6118011432166237
Energy: 0.5175167531269019
Energy: 0.6118011432168695
Energy: 0.6231077617822545
Energy: 0.5682876247834183
Energy: 0.5127378130180525
Energy: 0.5682876247841286
Energy: 0.6416705901175037
Energy: 0.6074068245111754
Energy: 0.6322728403446087
Energy: 0.6074068245106837
Energy: 0.6418063571197675
Energy: 0.652068628268107
Energy: 0.5823664299449368
Energy: 0.6520686282688172
Energy: 0.6560702344267852
Energy: 0.5615327672198194
Energy: 0.5134365719581726
Energy: 0.561532767223917
Energy: 0.49784622207319706
Energy: 0.6309286379644904
Energy: 0.5176879375298366
Energy: 0.6309286379666484

minimum gb energy = 0.4972675351158939 eV
minimum distance =  2.25881354208821 Angstroms
sigma value = 17


========================================
theta = 31.890791801845708
========================================

Energy: 0.6208645930355385
Energy: 0.6331723895500583
Energy: 0.9296384491871531
Energy: 0.633172389548697
Energy: 0.5880714632184618
Energy: 0.5641295731406588
Energy: 0.498225141069383
Energy: 0.5641295731447432
Energy: 0.5063003620998229
Energy: 0.5340142482618977
Energy: 0.5215232847574742
Energy: 0.5340142482646205
Energy: 0.5067343382813161
Energy: 0.5452808691737516
Energy: 0.5045818459840277
Energy: 0.5452808691723903
Energy: 0.5263167996027274
Energy: 0.5605304357635441
Energy: 0.6151884984167599
Energy: 0.5605304357621826
Energy: 0.5950653848928217
Energy: 0.6241614778534269
Energy: 0.5644321783804173
Energy: 0.6241614778534269
Energy: 0.4875765621191556
Energy: 0.5788365615946844
Energy: 0.61625697469559
Energy: 0.5788365615933231
Energy: 0.5119922364425934
Energy: 0.5467486248460947
Energy: 0.6035944239606281
Energy: 0.5467486248447332
Energy: 0.525158038452297
Energy: 0.5640204928757211
Energy: 0.526005861749544
Energy: 0.5640204928743597
Energy: 0.6149070259313404
Energy: 0.5632144108921202
Energy: 0.5349938898491889
Energy: 0.5632144108921202
Energy: 0.5491691657558723
Energy: 0.5878603118144705
Energy: 0.5576007367270118
Energy: 0.5878603118117477
Energy: 0.5362246150705582
Energy: 0.58200404630935
Energy: 0.5232176524754204
Energy: 0.5820040463134342
Energy: 0.6528372916781102
Energy: 0.56852811479486
Energy: 0.5295276757520039
Energy: 0.56852811479486
Energy: 0.5370002462500445
Energy: 0.5894539723992454
Energy: 0.5079226007311352
Energy: 0.5894539724006066
Energy: 0.5363564380282605
Energy: 0.564005852895331
Energy: 0.5972829319063415
Energy: 0.564005852895331
Energy: 0.5992085625125391
Energy: 0.5779604159993033
Energy: 0.5269745877694425
Energy: 0.5779604159952191
Energy: 0.5126191104331577
Energy: 0.6300353564217565
Energy: 0.5373374922260671
Energy: 0.6300353564217565
Energy: 0.5152634390337304
Energy: 0.5536731662821752
Energy: 0.5907822605992941
Energy: 0.5536731662794524
Energy: 0.6538390904912167
Energy: 0.625180306506321
Energy: 0.6137747032316763
Energy: 0.6251803065076823
Energy: 0.5827568253916178
Energy: 0.6038526351916381
Energy: 0.6152530640135416
Energy: 0.6038526351916381
Energy: 0.5163127656113211
Energy: 0.5333223907778437
Energy: 0.5941453118094026
Energy: 0.5333223907778437
Energy: 0.5157088319925803
Energy: 0.6142886027370339
Energy: 0.5033042244576605
Energy: 0.6142886027370339
Energy: 0.6059036037584408
Energy: 0.5350769906398648
Energy: 0.500423752861995
Energy: 0.5350769906453104
Energy: 0.6309098571811952
Energy: 0.5983119897706061
Energy: 0.632817177468688
Energy: 0.5983119897733288
Energy: 0.6285796329230487
Energy: 0.5863315710215685
Energy: 0.6371048658868667
Energy: 0.5863315710215685
Energy: 0.5993592083575161
Energy: 0.5521388111481458
Energy: 0.5094253996354102
Energy: 0.552138811145423
Energy: 0.5152458704521503
Energy: 0.6043956582885898
Energy: 0.5055385263219698
Energy: 0.6043956582885898
Energy: 0.518616196163883
Energy: 0.5439656188834543
Energy: 0.5816338861294114
Energy: 0.5439656188834543
Energy: 0.6251334797117309
Energy: 0.5882534629616991
Energy: 0.6130921695496289
Energy: 0.5882534629616991
Energy: 0.4992641004875099
Energy: 0.6262606465258189
Energy: 0.5765961649096543
Energy: 0.6262606465258189

minimum gb energy = 0.4875765621191556 eV
minimum distance =  2.23585593039584 Angstroms
sigma value = 53


========================================
theta = 36.86989764584402
========================================

Energy: 0.45854644301006214
Energy: 0.44226425693047344
Energy: 1.0598179431859627
Energy: 0.44226425693079396
Energy: 0.4831506837890698
Energy: 0.4598514208044775
Energy: 0.46000724197373677
Energy: 0.4598514208054035
Energy: 0.686863922593677
Energy: 0.4834191247951511
Energy: 0.48650877985214175
Energy: 0.48341912479575655
Energy: 0.48590942835671636
Energy: 0.4835110677885422
Energy: 0.6868901923469001
Energy: 0.4835110677869751
Energy: 0.46024723988223853
Energy: 0.4599011413351517
Energy: 0.48313043330682026
Energy: 0.4599011413351517
Energy: 1.0598179431248815
Energy: 0.44226425693015287
Energy: 0.4585464430097772
Energy: 0.44226425693047344
Energy: 0.46000724197373677
Energy: 0.4598514208044775
Energy: 0.48315068378874926
Energy: 0.45985142080476243
Energy: 0.48650877985214175
Energy: 0.4834191247951511
Energy: 0.6868639225962057
Energy: 0.4834191247992113
Energy: 0.686890192345333
Energy: 0.48351106778761616
Energy: 0.4859094283557904
Energy: 0.48351106778761616
Energy: 0.4831304332933575
Energy: 0.45990114133483123
Energy: 0.460247239881918
Energy: 0.4599011413351517
Energy: 0.4585464430107032
Energy: 0.44226425692983234
Energy: 1.0598179431888117
Energy: 0.44226425692951177
Energy: 0.48315068378874926
Energy: 0.4598514208044775
Energy: 0.46000724197341625
Energy: 0.4598514208038364
Energy: 0.6868639225949236
Energy: 0.4834191247960771
Energy: 0.48650877985214175
Energy: 0.4834191247951511

minimum gb energy = 0.44226425692951177 eV
minimum distance =  2.2598862209845 Angstroms
sigma value = 9


========================================
theta = 41.112090439166934
========================================

Energy: 0.616565169400839
Energy: 0.582810676208134
Energy: 0.980922828905675
Energy: 0.5828106762046539
Energy: 0.5920744276233856
Energy: 0.539147656101449
Energy: 0.5385933275329854
Energy: 0.539147656100289
Energy: 0.5167680583036709
Energy: 0.5195815765883266
Energy: 0.5159236800409972
Energy: 0.5195815765848466
Energy: 0.4951158685000344
Energy: 0.5390418644283959
Energy: 0.536794355340817
Energy: 0.5390418644295557
Energy: 0.5126261547248263
Energy: 0.5407213503066768
Energy: 0.57783095963343
Energy: 0.5407213503066768
Energy: 0.61610287998708
Energy: 0.5294137011822158
Energy: 0.5969888024823661
Energy: 0.5294137011833758
Energy: 0.5344861578291435
Energy: 0.5376589294501244
Energy: 0.578977843975719
Energy: 0.5376589294478045
Energy: 0.5098628437156008
Energy: 0.5641269002791858
Energy: 0.48362641380576776
Energy: 0.5641269002826657
Energy: 0.5647625231949872
Energy: 0.5422591707139021
Energy: 0.5002097772127704
Energy: 0.5422591707139021
Energy: 0.5836721029708293
Energy: 0.5337980359921056
Energy: 0.5074359672393024
Energy: 0.5337980359897856
Energy: 0.5497997265056365
Energy: 0.5406361976691123
Energy: 0.6509125528958861
Energy: 0.5406361976714323
Energy: 0.5697044651468617
Energy: 0.5525158963345379
Energy: 0.5358903208145067
Energy: 0.5525158963275778
Energy: 0.5150273574305179
Energy: 0.5712004930600376
Energy: 0.5356881611459212
Energy: 0.5712004930635177
Energy: 0.5078595144000138
Energy: 0.5320918149455894
Energy: 0.5794135694769201
Energy: 0.5320918149467495
Energy: 0.5057646861118247
Energy: 0.5805972152265388
Energy: 0.5344651155428235
Energy: 0.5805972152253788
Energy: 0.5771171391686118
Energy: 0.5713729515524942
Energy: 0.5337182205920183
Energy: 0.5713729515536542
Energy: 0.5798935168140129
Energy: 0.5753000262544617
Energy: 0.5866442732840997
Energy: 0.5753000262486617
Energy: 0.5487752470734066
Energy: 0.5559823189929812
Energy: 0.5948784686464766
Energy: 0.5559823189953014
Energy: 0.5905254090192615
Energy: 0.5299396670179545
Energy: 0.49064319985205274
Energy: 0.5299396670225945
Energy: 0.5326228510749474
Energy: 0.5796641978884205
Energy: 0.4923069114971744
Energy: 0.5796641978861005
Energy: 0.5131291413802999
Energy: 0.5362694666329534
Energy: 0.5504639785661022
Energy: 0.5362694666329534
Energy: 0.5790109623152999
Energy: 0.5637681854901888
Energy: 0.5895850631956924
Energy: 0.5637681854878688
Energy: 0.631298662406953
Energy: 0.5482239632486973
Energy: 0.5924052135772329
Energy: 0.5482239632486973
Energy: 0.5047782693586184
Energy: 0.5152762961466167
Energy: 0.6100105905937006
Energy: 0.5152762961442967
Energy: 0.494365123693455
Energy: 0.5715876137155654
Energy: 0.502144647456726
Energy: 0.5715876137178855
Energy: 0.5758909536228412
Energy: 0.568769591410978
Energy: 0.5030837866748104
Energy: 0.568769591406338
Energy: 0.604074370290131
Energy: 0.591399692964872
Energy: 0.5828776556753674
Energy: 0.5913996929555919
Energy: 0.6107868252778204
Energy: 0.589342690233824
Energy: 0.5919828637911001
Energy: 0.589342690234984
Energy: 0.6098541172490685
Energy: 0.5525255175664362
Energy: 0.5026405148124677
Energy: 0.5525255175629562
Energy: 0.5190653906453786
Energy: 0.5698498922970148
Energy: 0.5028454109686272
Energy: 0.5698498922946947
Energy: 0.5036761994178071
Energy: 0.5144712810414757
Energy: 0.602101210185365
Energy: 0.5144712810414757
Energy: 0.5313788092832735
Energy: 0.5745077661709211
Energy: 0.5917235034967312
Energy: 0.5745077661709211
Energy: 0.546567475399833
Energy: 0.5978825395646288
Energy: 0.5943274906502517
Energy: 0.5978825395646288
Energy: 0.5101694419533842
Energy: 0.5496555023851235
Energy: 0.5630036220080502
Energy: 0.5496555023851235
Energy: 0.5306444006581172
Energy: 0.5719767873442907
Energy: 0.5180717386904065
Energy: 0.5719767873419707

minimum gb energy = 0.48362641380576776 eV
minimum distance =  2.27851849807521 Angstroms
sigma value = 73


========================================
theta = 43.60281897270362
========================================

Energy: 0.6179896187996373
Energy: 0.5012136383093946
Energy: 0.975132721852498
Energy: 0.5012136383130755
Energy: 0.5834380985481972
Energy: 0.5192649436391676
Energy: 0.4922209300603231
Energy: 0.5192649436402762
Energy: 0.45808576555869424
Energy: 0.5410282491181613
Energy: 0.5072993204614372
Energy: 0.5410282491159444
Energy: 0.45756971321893886
Energy: 0.5896965250617809
Energy: 0.49086842135094694
Energy: 0.5896965250603171
Energy: 0.5108647859037952
Energy: 0.5351153941845399
Energy: 0.5521320427492437
Energy: 0.5351153941841843
Energy: 0.6549881950664264
Energy: 0.5929132604005055
Energy: 0.5250807231484749
Energy: 0.5929132603992298
Energy: 0.5045063797521571
Energy: 0.5153885900108738
Energy: 0.5377407265876236
Energy: 0.5153885900123378
Energy: 0.5168317433576355
Energy: 0.5621799352159198
Energy: 0.5161958151468764
Energy: 0.5621799352164845
Energy: 0.5468205000009075
Energy: 0.5376984026519591
Energy: 0.507072084887848
Energy: 0.5376984026513945
Energy: 0.5012823846573013
Energy: 0.5705734326041375
Energy: 0.48508796878040217
Energy: 0.5705734326039492
Energy: 0.5034576066994091
Energy: 0.5658075582526607
Energy: 0.5674512857615615
Energy: 0.565807558254501
Energy: 0.5780227962855207
Energy: 0.5903307538138506
Energy: 0.5645950832757785
Energy: 0.5903307538125538
Energy: 0.5696058453580164
Energy: 0.4765067981631381
Energy: 0.5256866781416009
Energy: 0.47650679816479036
Energy: 0.45854646184217523
Energy: 0.4898589004702379
Energy: 0.5513952625477335
Energy: 0.48985890047134645
Energy: 0.4576165672144861
Energy: 0.5968287023028128
Energy: 0.48640265016456613
Energy: 0.5968287023028128
Energy: 0.5058122055662133
Energy: 0.5181931789388708
Energy: 0.46967738355073163
Energy: 0.5181931789370304
Energy: 0.5886009117156722
Energy: 0.5339813242985155
Energy: 0.5807722764818114
Energy: 0.5339813242992475
Energy: 0.5886998476557083
Energy: 0.5404629736637555
Energy: 0.5802856561897103
Energy: 0.5404629736646758
Energy: 0.5689606721597632
Energy: 0.5177344664410548
Energy: 0.4910263107412949
Energy: 0.5177344664406993
Energy: 0.4579033861988511
Energy: 0.5360420918001925
Energy: 0.46981036259958786
Energy: 0.536042091799084
Energy: 0.46261790212141224
Energy: 0.4775298914800462
Energy: 0.5508667251700382
Energy: 0.4775298914809664
Energy: 0.5695875526010455
Energy: 0.5555398265495173
Energy: 0.5204362354900873
Energy: 0.5555398265519014

minimum gb energy = 0.45756971321893886 eV
minimum distance =  2.26292086353384 Angstroms
sigma value = 7


========================================
theta = 46.39718102729638
========================================

Energy: 0.6430062647365016
Energy: 0.48450239292326774
Energy: 1.068314314442283
Energy: 0.48450239292587055
Energy: 0.5368577487330737
Energy: 0.5257609737067509
Energy: 0.45815555742914266
Energy: 0.5257609737080523
Energy: 0.4822297264913214
Energy: 0.5474859405364388
Energy: 0.4770962776218095
Energy: 0.5474859405390416
Energy: 0.4875331439617732
Energy: 0.6061941729168672
Energy: 0.45657272062477894
Energy: 0.6061941729155658
Energy: 0.48754506588210084
Energy: 0.5791984095861946
Energy: 0.5318066419508576
Energy: 0.5791984095848932
Energy: 0.6161129351113279
Energy: 0.5178640169086368
Energy: 0.4703829492890836
Energy: 0.5178640169086368
Energy: 0.46928075446534223
Energy: 0.48732891378718923
Energy: 0.5500029281376679
Energy: 0.48732891378718923
Energy: 0.4699935405324851
Energy: 0.5428346993633638
Energy: 0.5320042328163078
Energy: 0.5428346993633638
Energy: 0.5818828752755136
Energy: 0.5085146876772532
Energy: 0.4868273137385952
Energy: 0.5085146876772532
Energy: 0.453325595984147
Energy: 0.6062561223978671
Energy: 0.5195488991834947
Energy: 0.6062561223978671
Energy: 0.45105175333643854
Energy: 0.49214762938397205
Energy: 0.47405567976449425
Energy: 0.49214762938267065
Energy: 0.5869418964368549
Energy: 0.5691920936664391
Energy: 0.5528125299851879
Energy: 0.5691920936690419
Energy: 0.6240290067782943
Energy: 0.5693076566648587
Energy: 0.6046896956824415
Energy: 0.5693076566635573
Energy: 0.45311521411291433
Energy: 0.4920029983341207
Energy: 0.5836644386219176
Energy: 0.4920029983354221
Energy: 0.45122941915918247
Energy: 0.6051325926081014
Energy: 0.4832619618053122
Energy: 0.6051325926081014
Energy: 0.5952150158255847
Energy: 0.5569459105526742
Energy: 0.48236070161145195
Energy: 0.5569459105513728
Energy: 0.4711607398423586
Energy: 0.5434713533501551
Energy: 0.5303969609140392
Energy: 0.5434713533501551
Energy: 0.4713456587256789
Energy: 0.6071592667516127
Energy: 0.5879577190723029
Energy: 0.6071592667529141
Energy: 0.6159079724497313
Energy: 0.48725007536447684
Energy: 0.4708716884417003
Energy: 0.48725007536317544
Energy: 0.5326688152422765
Energy: 0.5754872210626285
Energy: 0.4697962149869407
Energy: 0.5754872210665031
Energy: 0.48244571215208587
Energy: 0.5207034670806381
Energy: 0.4563686114430695
Energy: 0.5207034670806381
Energy: 0.4833628645184571
Energy: 0.5454525474618919
Energy: 0.45158761897038413
Energy: 0.5454525474618919
Energy: 0.5383795037191978
Energy: 0.5037446117070457
Energy: 0.45292206102528926
Energy: 0.5037446117096485
Energy: 0.6418043423151341
Energy: 0.568608506064253
Energy: 0.7482063829174082
Energy: 0.5686085060616501
Energy: 0.5375919949936282
Energy: 0.5755648109413625
Energy: 0.46074454983027724
Energy: 0.5755648109400611
Energy: 0.47317978478628153
Energy: 0.5082271598103699
Energy: 0.45124308453418455
Energy: 0.5082271598090685
Energy: 0.4878413541367292
Energy: 0.6075325501093067
Energy: 0.4533791329990567
Energy: 0.607532550106704
Energy: 0.4729244027364097
Energy: 0.5078327413384837
Energy: 0.5606916937528147
Energy: 0.5078327413462624
Energy: 0.4987008963154763
Energy: 0.5166464138437397
Energy: 0.498902845507747
Energy: 0.5166464138437397
Energy: 0.5591214239198512
Energy: 0.5119885020364645
Energy: 0.5588471352818188
Energy: 0.5119885020364645
Energy: 0.4984272115096895
Energy: 0.5165904095512599
Energy: 0.49870089630636655
Energy: 0.5165904095525613

minimum gb energy = 0.45105175333643854 eV
minimum distance =  2.27539583999011 Angstroms
sigma value = 29


========================================
theta = 53.13010235415598
========================================

Energy: 0.5079239048026594
Energy: 0.3637658406573709
Energy: 0.9317810104435849
Energy: 0.36376584065782425
Energy: 0.4715336801102433
Energy: 0.40017822085917504
Energy: 0.34950587451793497
Energy: 0.4001782208542893
Energy: 0.451862784934455
Energy: 0.4180380614540735
Energy: 0.3740808022536511
Energy: 0.41803806145273875
Energy: 0.583354419531994
Energy: 0.511265043571901
Energy: 0.4097254985105252
Energy: 0.5112650435692314
Energy: 0.4865494116800016
Energy: 0.3493376636800482
Energy: 0.40861478288762254
Energy: 0.34933766368357394
Energy: 0.4520985978126993
Energy: 0.40464471142671316
Energy: 0.3498368599360178
Energy: 0.4046447114275946
Energy: 0.4438007136359006
Energy: 0.4982258993798654
Energy: 0.5621665418456734
Energy: 0.4982258993803187
Energy: 0.5212183226426514
Energy: 0.4963970715620975
Energy: 0.5623304688757826
Energy: 0.49639707156166935
Energy: 0.46024273536445576
Energy: 0.40201951665527436
Energy: 0.3482910310867772
Energy: 0.4020195166543929

minimum gb energy = 0.3482910310867772 eV
minimum distance =  2.29120089566008 Angstroms
sigma value = 5


========================================
theta = 59.48976259388444
========================================

Energy: 0.7004948056980965
Energy: 0.5253330670681927
Energy: 0.90987253235991
Energy: 0.5253330670706513
Energy: 0.54633027601346
Energy: 0.5628259947870368
Energy: 0.533507475128856
Energy: 0.5628259947845781
Energy: 0.5534812725244836
Energy: 0.6054061744372604
Energy: 0.6076630006705968
Energy: 0.6054061744348017
Energy: 0.5539177573330774
Energy: 0.5369722117403551
Energy: 0.5341247128349202
Energy: 0.5369722117391258
Energy: 0.6200417684479343
Energy: 0.549574927227418
Energy: 0.5337972883635637
Energy: 0.549574927227418
Energy: 0.5498288015192648
Energy: 0.5478235925551794
Energy: 0.5546833445376367
Energy: 0.5478235925551794
Energy: 0.5500525766516805
Energy: 0.5296266760555935
Energy: 0.5313920951475146
Energy: 0.5296266760568228
Energy: 0.5493026557615136
Energy: 0.5559909744872494
Energy: 0.5876251177137818
Energy: 0.5559909744884788
Energy: 0.5820403552349904
Energy: 0.5743023895704062
Energy: 0.5635223922578744
Energy: 0.5743023895704062
Energy: 0.5993861331776287
Energy: 0.584812367860665
Energy: 0.5665707590687717
Energy: 0.5848123678594357
Energy: 0.5492007731197482
Energy: 0.5475287355452293
Energy: 0.56003549785589
Energy: 0.5475287355489172
Energy: 0.5546138975778172
Energy: 0.5895172671528651
Energy: 0.6339234869208767
Energy: 0.5895172671528651
Energy: 0.5491468240533667
Energy: 0.5535299592286755
Energy: 0.5351954002679402
Energy: 0.553529959222529
Energy: 0.5942710150610918
Energy: 0.5944333833317444
Energy: 0.5237175282772413
Energy: 0.5944333833305151
Energy: 0.5411911124469869
Energy: 0.5654330513081302
Energy: 0.5492728093002331
Energy: 0.5654330513081302
Energy: 0.6485478302752715
Energy: 0.5264541248214634
Energy: 0.6779855604078978
Energy: 0.5264541248165461
Energy: 0.5319609650786578
Energy: 0.5155565013818713
Energy: 0.5450539519513009
Energy: 0.5155565013781833
Energy: 0.6223776710198776
Energy: 0.6063059347121414
Energy: 0.5493515355621623
Energy: 0.606305934654419
Energy: 0.5467959959448447
Energy: 0.5286026230059779
Energy: 0.5496129125885078
Energy: 0.5286026230059779
Energy: 0.5325347000400312
Energy: 0.6051283579219142
Energy: 0.6129119833945088
Energy: 0.6051283579280609
Energy: 0.5482566154552454
Energy: 0.5675003261504142
Energy: 0.5255928642792352
Energy: 0.5675003261516435
Energy: 0.5727971255399118
Energy: 0.5286353107797366
Energy: 0.5564404803114075
Energy: 0.5286353107797366
Energy: 0.5842622678368133
Energy: 0.5974171629960675
Energy: 0.5582222571776659
Energy: 0.5974171629960675
Energy: 0.5586633528939963
Energy: 0.5868121406249113
Energy: 0.5618811264497137
Energy: 0.58681214062737
Energy: 0.5588041280287852
Energy: 0.5895462100668739
Energy: 0.6009305337050483
Energy: 0.5895462100668739
Energy: 0.5369639065397337
Energy: 0.5477893970864416
Energy: 0.561379374089214
Energy: 0.5477893970864416
Energy: 0.6303704691912575
Energy: 0.5411908088937497
Energy: 0.5638520859934111
Energy: 0.5411908088962084
Energy: 0.559054637118413
Energy: 0.5662410109185758
Energy: 0.5598661958216395
Energy: 0.5662410109148878
Energy: 0.5287158929281496
Energy: 0.5657363259099961
Energy: 0.6025272468472138
Energy: 0.5657363259099961
Energy: 0.5471426076718042
Energy: 0.5975684513810869
Energy: 0.5354595664091962
Energy: 0.5975684513798576
Energy: 0.6640906834650766
Energy: 0.5993297494362879
Energy: 0.5257440825775735
Energy: 0.5993297494338291
Energy: 0.5352537389151085
Energy: 0.5216802278725511
Energy: 0.5613900194352333
Energy: 0.5216802278713216
Energy: 0.6026446278135197
Energy: 0.5421037662907353
Energy: 0.6789815105214289
Energy: 0.5421037663030287

minimum gb energy = 0.5155565013781833 eV
minimum distance =  2.26743703012071 Angstroms
sigma value = 1


========================================
theta = 61.92751306414704
========================================

Energy: 0.6146153598258483
Energy: 0.6012324043079144
Energy: 0.902469294742849
Energy: 0.6012324043062145
Energy: 0.5293246105857435
Energy: 0.5209893444130959
Energy: 0.5231735705585339
Energy: 0.5209893444130959
Energy: 0.5200284510986026
Energy: 0.6045173803467977
Energy: 0.6135879818600125
Energy: 0.6045173803467977
Energy: 0.5446473441721811
Energy: 0.5444499092918739
Energy: 0.5281169449505025
Energy: 0.5444499092918739
Energy: 0.6067456220245634
Energy: 0.6063867563277623
Energy: 0.48217682796305456
Energy: 0.6063867563277623
Energy: 0.48333083745894023
Energy: 0.6218835852397274
Energy: 0.5473820738784705
Energy: 0.6218835852397274
Energy: 0.527102920835037
Energy: 0.5522369272332989
Energy: 0.559476433168348
Energy: 0.5522369272332989
Energy: 0.5242780948506174
Energy: 0.5365929417484424
Energy: 0.5979446471183297
Energy: 0.5365929417501423
Energy: 0.5601653696960994
Energy: 0.5403047046481114
Energy: 0.542473457836083
Energy: 0.5403047046481114
Energy: 0.5601653696960994
Energy: 0.5403090332057616
Energy: 0.5427064754429516
Energy: 0.5403090332057616
Energy: 0.5253692963485931
Energy: 0.5364149122850269
Energy: 0.5979446471115694
Energy: 0.5364149122850269
Energy: 0.527025838378738
Energy: 0.5523283219421299
Energy: 0.5594764331700478
Energy: 0.5523283219421299
Energy: 0.48336250093080585
Energy: 0.6218639736175952
Energy: 0.547252879407087
Energy: 0.6218639736158954
Energy: 0.6061836687257592
Energy: 0.6061117221639559
Energy: 0.482117680452847
Energy: 0.6061117221656556
Energy: 0.5446700998320437
Energy: 0.5442593507398298
Energy: 0.5275557756576004
Energy: 0.5442593507398298
Energy: 0.5200284511003025
Energy: 0.6044192739438818
Energy: 0.6138986410026555
Energy: 0.6044192739455817
Energy: 0.5291496661879739
Energy: 0.520904548756701
Energy: 0.5229280687079694
Energy: 0.520904548756701
Energy: 0.6146153598258483
Energy: 0.6012324043079144
Energy: 0.9024692947462486
Energy: 0.6012324043079144
Energy: 0.5293246105687459
Energy: 0.5209893444130959
Energy: 0.5231735705585339
Energy: 0.5209893444130959
Energy: 0.5200284510986026
Energy: 0.6045173803467977
Energy: 0.6135879818600125
Energy: 0.6045173803467977
Energy: 0.5446473441721811
Energy: 0.544449909290174
Energy: 0.5281169449505025
Energy: 0.544449909290174
Energy: 0.6067456220296626
Energy: 0.6063867563277623
Energy: 0.4821768279647542
Energy: 0.6063867563277623
Energy: 0.48333083745894023
Energy: 0.6218835852414272
Energy: 0.5473820738784705
Energy: 0.6218835852397274
Energy: 0.527102920835037
Energy: 0.5522369272332989
Energy: 0.5594764331700478
Energy: 0.552236927231599

minimum gb energy = 0.482117680452847 eV
minimum distance =  2.28357498408526 Angstroms
sigma value = 17


========================================
theta = 64.01076641616699
========================================

Energy: 0.6683653400579443
Energy: 0.5862649260781626
Energy: 0.9159260145869977
Energy: 0.5862649260760616
Energy: 0.570910808387908
Energy: 0.6129355090765863
Energy: 0.5423490320898581
Energy: 0.6129355090744851
Energy: 0.5689028270875729
Energy: 0.6081157864232526
Energy: 0.6501774272588032
Energy: 0.6081157864547702
Energy: 0.5341840437437045
Energy: 0.5739540281450106
Energy: 0.5614116157154575
Energy: 0.5739540281513141
Energy: 0.6276577590604514
Energy: 0.6355795482551407
Energy: 0.567457823087046
Energy: 0.6355795482593429
Energy: 0.5409612530611638
Energy: 0.5765093209259413
Energy: 0.5340913676603816
Energy: 0.5765093209248907
Energy: 0.5813233054753758
Energy: 0.5681759184115325
Energy: 0.6102838718442679
Energy: 0.5681759184136336
Energy: 0.5421034766945196
Energy: 0.5903601651877285
Energy: 0.5810929617865348
Energy: 0.5903601651908803
Energy: 0.6110409912809952
Energy: 0.6103101867465713
Energy: 0.5672743102315497
Energy: 0.6103101867423689
Energy: 0.5528592329243797
Energy: 0.6033295669725606
Energy: 0.568476687387455
Energy: 0.6033295669736112
Energy: 0.5770247535380899
Energy: 0.59400041173646
Energy: 0.5257501383158586
Energy: 0.5940004117343588
Energy: 0.5740331185418776
Energy: 0.595913190980172
Energy: 0.5668287498871442
Energy: 0.5959131909770204
Energy: 0.5787495738398797
Energy: 0.6196944200915273
Energy: 0.5370207276659756
Energy: 0.6196944200915273
Energy: 0.6152342390281796
Energy: 0.6178089965626237
Energy: 0.5665565803359205
Energy: 0.6178089965615731
Energy: 0.5482247020125375
Energy: 0.5794673038435276
Energy: 0.5361896340136443
Energy: 0.5794673038498311
Energy: 0.5458614810125151
Energy: 0.6231616698617884
Energy: 0.6126385125307391
Energy: 0.6231616698659908
Energy: 0.563522976364298
Energy: 0.5666194267679898
Energy: 0.5691966676382278
Energy: 0.5666194267679898
Energy: 0.6575413108975586
Energy: 0.6499317159277733
Energy: 0.5340491812061556
Energy: 0.6499317159330261
Energy: 0.5623595045991628
Energy: 0.6013300173628866
Energy: 0.563824382324307
Energy: 0.6013300173628866
Energy: 0.5413198880065078
Energy: 0.5640054306578929
Energy: 0.6706500350839119
Energy: 0.564005430659994
Energy: 0.5606037331083782
Energy: 0.5994465169566868
Energy: 0.5642532263184128
Energy: 0.599446516960889
Energy: 0.6542067683766468
Energy: 0.6058190329527525
Energy: 0.579838648314556
Energy: 0.6058190329485502
Energy: 0.5534431537407978
Energy: 0.5747063855411834
Energy: 0.5350754066203545
Energy: 0.574706385542234
Energy: 0.5522262560680203
Energy: 0.6175799843645574
Energy: 0.6149517596268902
Energy: 0.6175799844107352
Energy: 0.5365161087444313
Energy: 0.5756562255559142
Energy: 0.5510726523372753
Energy: 0.5756562255580155
Energy: 0.5424385563691826
Energy: 0.5807019148661483
Energy: 0.5637934137649254
Energy: 0.5807019148682494
Energy: 0.6082854676135314
Energy: 0.5722312552327392
Energy: 0.557732278747219
Energy: 0.5722312552358909
Energy: 0.5795620253670654
Energy: 0.626013407580348
Energy: 0.6728586061703301
Energy: 0.6260134075813986
Energy: 0.569835129675677
Energy: 0.6002929808502465
Energy: 0.6751694021502116
Energy: 0.6002929808481454
Energy: 0.5250297335625879
Energy: 0.6015883201644368
Energy: 0.5503800514667256
Energy: 0.6015883201644368
Energy: 0.5819736558560261
Energy: 0.5709258648605969
Energy: 0.5692252932997317
Energy: 0.5709258648616474
Energy: 0.5430281467104016
Energy: 0.575219609401685
Energy: 0.5637161441097276
Energy: 0.5752196094058873
Energy: 0.5492090417062164
Energy: 0.6072556138751782
Energy: 0.6142574830958649
Energy: 0.6072556138720265
Energy: 0.5543823368566952
Energy: 0.5757601154365326
Energy: 0.5953571669306477
Energy: 0.5757601154375832
Energy: 0.6526101208732505
Energy: 0.6233598865929014
Energy: 0.5245350597822814
Energy: 0.6233598865865978
Energy: 0.5636468318632483
Energy: 0.5626979159183193
Energy: 0.5707873171437441
Energy: 0.5626979159172688
Energy: 0.5609861017237889
Energy: 0.6219656175711741
Energy: 0.6392351239441156
Energy: 0.6219656175690731
Energy: 0.5554639497330832
Energy: 0.6063091229588009
Energy: 0.5685635646075827
Energy: 0.6063091229609021

minimum gb energy = 0.5245350597822814 eV
minimum distance =  2.26053378202254 Angstroms
sigma value = 89


========================================
theta = 67.38013505195957
========================================

Energy: 0.528089343129964
Energy: 0.6035382770222096
Energy: 0.8526958500936943
Energy: 0.6035382770222096
Energy: 0.5425556620858374
Energy: 0.6221943146319411
Energy: 0.5342772204221966
Energy: 0.6221943146330343
Energy: 0.5613713490890078
Energy: 0.533006656434399
Energy: 0.6270781830365094
Energy: 0.5330066564303071
Energy: 0.5233440208215742
Energy: 0.5752940296552996
Energy: 0.5337905407013156
Energy: 0.5752940296555807
Energy: 0.6211058254643819
Energy: 0.5744192184009518
Energy: 0.5502828416217173
Energy: 0.5744192184020451
Energy: 0.5261420464236861
Energy: 0.5013228679825199
Energy: 0.5781507665064427
Energy: 0.5013228679833321
Energy: 0.5461050673344202
Energy: 0.6053388537772831
Energy: 0.5604624488837128
Energy: 0.6053388537775641
Energy: 0.526858695032814
Energy: 0.5332842844486603
Energy: 0.5142589123926594
Energy: 0.5332842844500347
Energy: 0.6729039419658598
Energy: 0.564864816718696
Energy: 0.5265538136396714
Energy: 0.5648648167167593
Energy: 0.49988564321365364
Energy: 0.5806779392903229
Energy: 0.526961853644651
Energy: 0.5806779392897605
Energy: 0.5308250234588334
Energy: 0.5780344079812786
Energy: 0.5138749331730219
Energy: 0.5780344079746875
Energy: 0.5308322548653699
Energy: 0.5799225872904914
Energy: 0.5136684083422906
Energy: 0.5799225872904914
Energy: 0.5588773935223934
Energy: 0.57998292840169
Energy: 0.5279883813682955
Energy: 0.5799829284025022
Energy: 0.6700851815275061
Energy: 0.5690693637585941
Energy: 0.5267120278674211
Energy: 0.569069363758313
Energy: 0.5330716081661265
Energy: 0.6240086941184723
Energy: 0.5502506996196214
Energy: 0.6240086941193156

minimum gb energy = 0.49988564321365364 eV
minimum distance =  2.2618907863196 Angstroms
sigma value = 13


========================================
theta = 71.07535558394876
========================================

Energy: 0.6496633162442392
Energy: 0.5370545626478203
Energy: 0.8079201492741505
Energy: 0.537054562645516
Energy: 0.5515171452629577
Energy: 0.6408211576094855
Energy: 0.501502282711959
Energy: 0.6408211576106376
Energy: 0.7017138025940391
Energy: 0.5941298720887973
Energy: 0.5468139608882447
Energy: 0.5941298720887973
Energy: 0.5509610900061597
Energy: 0.5678320927023519
Energy: 0.5013782892937361
Energy: 0.5678320927035041
Energy: 0.6419455079900058
Energy: 0.5975903918634305
Energy: 0.6219110096634953
Energy: 0.5975903918611263
Energy: 0.5053380836668177
Energy: 0.5946556559316929
Energy: 0.5371501717437233
Energy: 0.5946556559316929
Energy: 0.5783850287223058
Energy: 0.5890096332113242
Energy: 0.6261284943834279
Energy: 0.5890096332136283
Energy: 0.5637290756512393
Energy: 0.5999930218715208
Energy: 0.5537916505267405
Energy: 0.5999930218738251
Energy: 0.6707145112709989
Energy: 0.6051286662144538
Energy: 0.5023037103100523
Energy: 0.6051286662167582
Energy: 0.565219746945142
Energy: 0.5743462448978494
Energy: 0.5080060003234204
Energy: 0.5743462448978494
Energy: 0.4938373090436212
Energy: 0.5720436873840805
Energy: 0.6845502245092995
Energy: 0.572043687380624
Energy: 0.48614674818841097
Energy: 0.581204237264386
Energy: 0.5634572390766761
Energy: 0.581204237264386
Energy: 0.6033869299781249
Energy: 0.6319790667015054
Energy: 0.5150328852466765
Energy: 0.6319790667015054
Energy: 0.5691222037210159
Energy: 0.6371684359603166
Energy: 0.5593609206053749
Energy: 0.6371684359580123
Energy: 0.4904326507606596
Energy: 0.5263731430740577
Energy: 0.6057695311432746
Energy: 0.5263731430786662
Energy: 0.4863561435889325
Energy: 0.5760668741465047
Energy: 0.6893291541379892
Energy: 0.5760668741465047
Energy: 0.6042754720662507
Energy: 0.618120688569732
Energy: 0.537074621297408
Energy: 0.618120688569732
Energy: 0.623318113716372
Energy: 0.5927373751128687
Energy: 0.5086171317766512
Energy: 0.5927373751117165
Energy: 0.5648989075020394
Energy: 0.6260102073005174
Energy: 0.5760117590079902
Energy: 0.6260102073005174
Energy: 0.5759849841728777
Energy: 0.5769220487604048
Energy: 0.5649280266788166
Energy: 0.5769220487592526
Energy: 0.5085839411972215
Energy: 0.5926657634084651
Energy: 0.6233654479649074
Energy: 0.5926657634096173
Energy: 0.5368398412644574
Energy: 0.6181588618648225
Energy: 0.6042754720674028
Energy: 0.6181588618659746
Energy: 0.6893291541425455
Energy: 0.5761520742319223
Energy: 0.4863117749992371
Energy: 0.5761520742319223
Energy: 0.6057695311421225
Energy: 0.5332072764626156
Energy: 0.4901635800129142
Energy: 0.5332072764603114
Energy: 0.55931855503986
Energy: 0.6370975691620769
Energy: 0.5691280561779818
Energy: 0.6370975691643812
Energy: 0.5548729493504132
Energy: 0.6321336047807392
Energy: 0.6033869299804292
Energy: 0.6321336047807392
Energy: 0.5635404482104875
Energy: 0.5815485707614635
Energy: 0.4860884350787225
Energy: 0.5815485707592115
Energy: 0.6845502245092995
Energy: 0.5714959546273652
Energy: 0.49386259913130126
Energy: 0.5714959546250609
Energy: 0.5080040224106218
Energy: 0.574158593333238
Energy: 0.5584581670360058
Energy: 0.5741585933309338
Energy: 0.5014566618222807
Energy: 0.6050729759639351
Energy: 0.6703082059907746
Energy: 0.6050729759627829
Energy: 0.5538582322373481
Energy: 0.6010215927701409
Energy: 0.5636053330617843
Energy: 0.6010215927735972
Energy: 0.6260864480066648
Energy: 0.5890452812161731
Energy: 0.5785203322688734
Energy: 0.5890452812196296
Energy: 0.5370796985621644
Energy: 0.5947265727800314
Energy: 0.5041153504930432
Energy: 0.5947265727811835
Energy: 0.6342321854729804
Energy: 0.5978233251365805
Energy: 0.6417707913148167
Energy: 0.5978233251365805
Energy: 0.5013429614795364
Energy: 0.5678183605348791
Energy: 0.550427173318227
Energy: 0.5678183605371834

minimum gb energy = 0.4860884350787225 eV
minimum distance =  2.25907757803244 Angstroms
sigma value = 37


========================================
theta = 73.73979529168804
========================================

Energy: 0.570261336766064
Energy: 0.5998090288846769
Energy: 0.7165002583808326
Energy: 0.5998090288884386
Energy: 0.5879626648555626
Energy: 0.6049876831020862
Energy: 0.47154039127053066
Energy: 0.6049876831012978
Energy: 0.672997724431398
Energy: 0.5733230740659899
Energy: 0.5291072922933008
Energy: 0.5733230740649988
Energy: 0.4907549710556536
Energy: 0.5729687736755189
Energy: 0.47146125225703833
Energy: 0.5729687736749107
Energy: 0.536620572410393
Energy: 0.5730669729500026
Energy: 0.5477778483986129
Energy: 0.5730669729502053
Energy: 0.47527020338732306
Energy: 0.5662617903182665
Energy: 0.4761550807498247
Energy: 0.5662617903166898
Energy: 0.5042132133430935
Energy: 0.5856688091215896
Energy: 0.5341055680448353
Energy: 0.5856688091214094
Energy: 0.5175024848904406
Energy: 0.5650038071850458
Energy: 0.5373865084966578
Energy: 0.5650038071848432
Energy: 0.5588117582229414
Energy: 0.6015265904684609
Energy: 0.49856414976671104
Energy: 0.6015265904676725
Energy: 0.47332370119495853
Energy: 0.5611488081828399
Energy: 0.45487805594113134
Energy: 0.5611488081836508
Energy: 0.396454041319382
Energy: 0.4885293231107161
Energy: 0.5432348265549796
Energy: 0.48852932311013053
Energy: 0.4667237530274731
Energy: 0.4875149146621103
Energy: 0.5812525084284099
Energy: 0.4875149146637095
Energy: 0.6085341558129007
Energy: 0.5118936029610406
Energy: 0.520249374004737
Energy: 0.511893602961829
Energy: 0.5710757479913094
Energy: 0.564139577321344
Energy: 0.4802171693911552
Energy: 0.5641395773231236
Energy: 0.5275597321326313
Energy: 0.6112524955173015
Energy: 0.5794395942529003
Energy: 0.6112524955135399
Energy: 0.5296871080187109
Energy: 0.6342201151833597
Energy: 0.5802917032846013
Energy: 0.6342201151833597
Energy: 0.5803940977899925
Energy: 0.45766481089670774
Energy: 0.48838441255995513
Energy: 0.45766481089551386
Energy: 0.47984092143258406
Energy: 0.5679303313506489
Energy: 0.4870102348285539
Energy: 0.5679303313494549
Energy: 0.4453912084125449
Energy: 0.5805122215982987
Energy: 0.5813353713482822
Energy: 0.580512221595911
Energy: 0.46556037702320213
Energy: 0.5567297274401898
Energy: 0.5748089757896621
Energy: 0.5567297274405951

minimum gb energy = 0.396454041319382 eV
minimum distance =  2.24768396012794 Angstroms
sigma value = 25


========================================
theta = 77.31961650818018
========================================

Energy: 0.6387998056882552
Energy: 0.6045414028189858
Energy: 0.8864460877361954
Energy: 0.6045414028189858
Energy: 0.5450214669626076
Energy: 0.580247269235027
Energy: 0.5190747532292591
Energy: 0.5802472692381228
Energy: 0.6241581518791329
Energy: 0.5812469094727412
Energy: 0.5125938829099626
Energy: 0.5812469094727412
Energy: 0.49451917673255064
Energy: 0.5562324727534511
Energy: 0.5294065135879845
Energy: 0.5562324727519032
Energy: 0.5253369401972439
Energy: 0.5858257509316671
Energy: 0.508698112102128
Energy: 0.5858257509301192
Energy: 0.49465834107107337
Energy: 0.5552778103751232
Energy: 0.4714300477489432
Energy: 0.5552778103766711
Energy: 0.5025536237797138
Energy: 0.5641569007154146
Energy: 0.5238871498676716
Energy: 0.5641569007154146
Energy: 0.4611774526200806
Energy: 0.5661544553836042
Energy: 0.5052374941643046
Energy: 0.5661544553820563
Energy: 0.5332894018057978
Energy: 0.49105190454897885
Energy: 0.5284739406657005
Energy: 0.4910519045582661
Energy: 0.47358614303757474
Energy: 0.5685032196597103
Energy: 0.5145221851294406
Energy: 0.5685032196581624
Energy: 0.5450633525378045
Energy: 0.5976456242682292
Energy: 0.5171017441962631
Energy: 0.597645624269777
Energy: 0.46013513913192994
Energy: 0.5949678113976292
Energy: 0.5057370069550565
Energy: 0.5949678114192641
Energy: 0.5831448298983115
Energy: 0.5587875068008078
Energy: 0.5257093545208052
Energy: 0.5587875067992599
Energy: 0.5305069305458566
Energy: 0.5415235183717593
Energy: 0.4311812894809863
Energy: 0.5415235183702114
Energy: 0.43854712052124545
Energy: 0.5927699809780717
Energy: 0.6198525476775634
Energy: 0.5927699809780717
Energy: 0.49431589476019605
Energy: 0.5446803935278239
Energy: 0.5268122013339008
Energy: 0.5446803935293717
Energy: 0.521510180477115
Energy: 0.6067795275153927
Energy: 0.5173747459385364
Energy: 0.6067795275138448
Energy: 0.6025614898759408
Energy: 0.5790883209513601
Energy: 0.483523512083257
Energy: 0.5790883209513601
Energy: 0.6356985102662553
Energy: 0.6247270609458276
Energy: 0.5120570892651278
Energy: 0.6247270609458276
Energy: 0.5468505807212946
Energy: 0.5749687282993328
Energy: 0.5272650419649345
Energy: 0.5749687282977849
Energy: 0.5193851420596409
Energy: 0.5736338909167913
Energy: 0.5689762080701067
Energy: 0.5736338909167913
Energy: 0.5095965454445969
Energy: 0.5569333167673998
Energy: 0.5152049555120496
Energy: 0.5569333167673998
Energy: 0.4399293526698976
Energy: 0.5670581234790494
Energy: 0.5129419819858744
Energy: 0.5670581234775015
Energy: 0.47726536927077623
Energy: 0.5586873801745978
Energy: 0.4853233984782708
Energy: 0.5586873801776936
Energy: 0.53516539997003
Energy: 0.5598629782575069
Energy: 0.4660602250922877
Energy: 0.5598629782590547
Energy: 0.5396430067517688
Energy: 0.5671418078964385
Energy: 0.4757833219716211
Energy: 0.5671418078948907

minimum gb energy = 0.4311812894809863 eV
minimum distance =  2.25347294638435 Angstroms
sigma value = 41


========================================
theta = 79.61114218453038
========================================

Energy: 0.6482966035443224
Energy: 0.599640182625121
Energy: 0.7302510101507326
Energy: 0.599640182627659
Energy: 0.5493368076302992
Energy: 0.5872311248827452
Energy: 0.5248028936159099
Energy: 0.5872311248827452
Energy: 0.594344062018324
Energy: 0.5631267259537013
Energy: 0.5419909797702559
Energy: 0.5631267259549703
Energy: 0.4969396588487629
Energy: 0.5586985800132824
Energy: 0.5213506359651651
Energy: 0.5586985800158204
Energy: 0.549720702537268
Energy: 0.5574630062570367
Energy: 0.5448712400349529
Energy: 0.5574630062583058
Energy: 0.4962141107500944
Energy: 0.5494433620113874
Energy: 0.4996553883155683
Energy: 0.5494433620075804
Energy: 0.47769382665571275
Energy: 0.546745275166461
Energy: 0.48757082531318535
Energy: 0.546745275161385
Energy: 0.4770265922009965
Energy: 0.5595388193241884
Energy: 0.5203055957695386
Energy: 0.5595388193267266
Energy: 0.51349799573964
Energy: 0.5467634434109493
Energy: 0.4787474888028194
Energy: 0.5467634434109493
Energy: 0.5020294733008406
Energy: 0.5429132323167654
Energy: 0.4820625714299102
Energy: 0.5429132323205724
Energy: 0.4711636493363578
Energy: 0.5572093874645444
Energy: 0.5817816304628646
Energy: 0.5572093874658134
Energy: 0.4624486411565965
Energy: 0.5495648868483874
Energy: 0.481351040010495
Energy: 0.5495648868445805
Energy: 0.513302497599433
Energy: 0.5586947415383713
Energy: 0.4686563153937526
Energy: 0.5586947415320265
Energy: 0.5014578356293637
Energy: 0.5698876060289223
Energy: 0.46629223889541166
Energy: 0.5698876060276533
Energy: 0.48083762510374384
Energy: 0.5479225802347661
Energy: 0.5539333968717886
Energy: 0.547922580237304
Energy: 0.44955026691387734
Energy: 0.5698735244009888
Energy: 0.5142132860373567
Energy: 0.5698735243984508
Energy: 0.5238708388684533
Energy: 0.5476991235760434
Energy: 0.4804424549468032
Energy: 0.5476991235785814
Energy: 0.5045018325091393
Energy: 0.5335173102418063
Energy: 0.4942479847167505
Energy: 0.5335173102367303
Energy: 0.5461303314240394
Energy: 0.5593412754787638
Energy: 0.5795901408666285
Energy: 0.5593412754800328
Energy: 0.5066624561023081
Energy: 0.5529147115328403
Energy: 0.5206991898558386
Energy: 0.5529147115328403
Energy: 0.5164993111785243
Energy: 0.5626816685111862
Energy: 0.5023718922946983
Energy: 0.5626816685099172
Energy: 0.547303828066526
Energy: 0.5631721461818879
Energy: 0.5247278556229934
Energy: 0.5631721461818879
Energy: 0.5686807203529849
Energy: 0.5799591803051846
Energy: 0.4692271028517868
Energy: 0.5799591803039156
Energy: 0.5522901989099396
Energy: 0.5705044129769874
Energy: 0.5212736014422137
Energy: 0.5705044129744494
Energy: 0.5269132621926172
Energy: 0.5168252964940663
Energy: 0.5020601677973319
Energy: 0.5168252964915283
Energy: 0.5002652469325114
Energy: 0.5494076499483875
Energy: 0.5240412599541084
Energy: 0.5494076499483875
Energy: 0.4663122248671105
Energy: 0.5592042990480541
Energy: 0.5621843082500384
Energy: 0.5592042990518612
Energy: 0.5021019613914647
Energy: 0.5521260271934496
Energy: 0.48862869852714086
Energy: 0.5521260271883736
Energy: 0.5362054585475066
Energy: 0.5375910103241569
Energy: 0.46455673019595417
Energy: 0.5375910103241569
Energy: 0.47934972351566746
Energy: 0.5450197883028477
Energy: 0.5187628066221208
Energy: 0.5450197883003097
Energy: 0.5047700271831849
Energy: 0.5404032629592703
Energy: 0.5012756199849162
Energy: 0.5404032629592703
Energy: 0.48807966744599546
Energy: 0.5530069769078981
Energy: 0.459145863590884
Energy: 0.5530069769117051

minimum gb energy = 0.44955026691387734 eV
minimum distance =  2.25158529395487 Angstroms
sigma value = 15


========================================
theta = 81.20258929000894
========================================

Energy: 0.5557451975069436
Energy: 0.5591595316485826
Energy: 0.6661538892086826
Energy: 0.5591595316496575
Energy: 0.5484350842288953
Energy: 0.5802135024369824
Energy: 0.5050010165835656
Energy: 0.5802135024359074
Energy: 0.5645434254653541
Energy: 0.5589148958311148
Energy: 0.5376242661087398
Energy: 0.5589148958354148
Energy: 0.50357501917966
Energy: 0.577384369606748
Energy: 0.5053250963385382
Energy: 0.577384369607823
Energy: 0.5630905905052963
Energy: 0.5416828240729326
Energy: 0.5185880805258317
Energy: 0.5416828240697076
Energy: 0.49563433556391195
Energy: 0.5339326150788689
Energy: 0.4868426772762849
Energy: 0.5339326150788689
Energy: 0.49936679012961155
Energy: 0.533213401803817
Energy: 0.5887929116732732
Energy: 0.533213401795217
Energy: 0.49383514054007477
Energy: 0.5157022161071037
Energy: 0.5105052639102136
Energy: 0.5157022161038786
Energy: 0.5145538970814004
Energy: 0.5255047773345782
Energy: 0.48572170958930483
Energy: 0.5255047773388783
Energy: 0.5056096343365359
Energy: 0.5515151876456097
Energy: 0.4722279261337776
Energy: 0.5515151876456097
Energy: 0.4558651689360367
Energy: 0.5277053000042626
Energy: 0.5038224156221279
Energy: 0.5277053000064127
Energy: 0.4828174447202866
Energy: 0.5390249731517028
Energy: 0.4794466753708528
Energy: 0.539024973152778
Energy: 0.4605214914045375
Energy: 0.5453603326424347
Energy: 0.5025309354655152
Energy: 0.5453603326445847
Energy: 0.4760632322198832
Energy: 0.5364308976848774
Energy: 0.4558849210202978
Energy: 0.5364308976838025
Energy: 0.49018921063982573
Energy: 0.545049261587093
Energy: 0.5177989537555805
Energy: 0.545049261587093
Energy: 0.468027276050011
Energy: 0.532440336381549
Energy: 0.47164281525799845
Energy: 0.5324403363793989
Energy: 0.5280895184096648
Energy: 0.5298461268298064
Energy: 0.48692462637612666
Energy: 0.5298461268287312
Energy: 0.49707991764627596
Energy: 0.5686879825918265
Energy: 0.467297763811296
Energy: 0.5686879825961267
Energy: 0.5155309017780764
Energy: 0.529501381691168
Energy: 0.49511054405279825
Energy: 0.529501381691168
Energy: 0.4774212789025366
Energy: 0.5682979414326578
Energy: 0.500105803189119
Energy: 0.5682979414272826
Energy: 0.49470612740387326
Energy: 0.5345628864147539
Energy: 0.5161479342428713
Energy: 0.534562886413679
Energy: 0.49985234423131025
Energy: 0.5480796341631855
Energy: 0.5115326896308812
Energy: 0.5480796341578105
Energy: 0.5395060892003967
Energy: 0.5412055460719842
Energy: 0.5563894505070291
Energy: 0.5412055460709092
Energy: 0.4963670832403994
Energy: 0.5507515407255594
Energy: 0.507710144029302
Energy: 0.5507515407277095
Energy: 0.5109102161203983
Energy: 0.5639616589483031
Energy: 0.5572763786310835
Energy: 0.5639616589525543
Energy: 0.5425805532659632
Energy: 0.5609648280455131
Energy: 0.5347815636177848
Energy: 0.5609648280465881
Energy: 0.5682613210220885
Energy: 0.5365235891730491
Energy: 0.4939882156007638
Energy: 0.5365235891708992
Energy: 0.5566174011725137
Energy: 0.5702152931093748
Energy: 0.5076144732137667
Energy: 0.5702152931093748
Energy: 0.518169264556306
Energy: 0.5604062756500693
Energy: 0.558296293088085
Energy: 0.5604062756479191
Energy: 0.5014064715537923
Energy: 0.549922197181428
Energy: 0.5350964884795233
Energy: 0.5499221971749779
Energy: 0.5373621041470842
Energy: 0.5416101779657787
Energy: 0.5440218857678606
Energy: 0.5416101779647037
Energy: 0.5068210512563005
Energy: 0.5333884118494735
Energy: 0.4806053659483403
Energy: 0.5333884118731239
Energy: 0.5133379777433029
Energy: 0.5371973510429326
Energy: 0.518083857944689
Energy: 0.5371973510461577
Energy: 0.4786812858468591
Energy: 0.5432335838088278
Energy: 0.5066288477853486
Energy: 0.5432335838066779
Energy: 0.47860146142420296
Energy: 0.5650917238587764
Energy: 0.46416883658841857
Energy: 0.5650917238609264
Energy: 0.5106788042854964
Energy: 0.5496985152479081
Energy: 0.47496241401050066
Energy: 0.5496985152479081
Energy: 0.455450171423859
Energy: 0.5490091533436983
Energy: 0.48055419223317986
Energy: 0.5490091533447733

minimum gb energy = 0.455450171423859 eV
minimum distance =  2.28739443660538 Angstroms
sigma value = 85


========================================
theta = 82.3718503314193
========================================

Energy: 0.610404176975232
Energy: 0.5491875319085169
Energy: 0.5833481324751784
Energy: 0.5491875319085169
Energy: 0.513579699075007
Energy: 0.5284966177317733
Energy: 0.5029560392324451
Energy: 0.5284966177327056
Energy: 0.4801365412965139
Energy: 0.5552622477277092
Energy: 0.5390696483408326
Energy: 0.5552622477258443
Energy: 0.46787330705024016
Energy: 0.5135954993146239
Energy: 0.5026375515589044
Energy: 0.5135954993136916
Energy: 0.5682417598721184
Energy: 0.5230178603442469
Energy: 0.46334333376096404
Energy: 0.5230178603451794
Energy: 0.46900736572434576
Energy: 0.5028877602383504
Energy: 0.46651217349453394
Energy: 0.5028877602383504
Energy: 0.4637102788084194
Energy: 0.5215206772346827
Energy: 0.4896075842469638
Energy: 0.5215206772356149
Energy: 0.45685383212685277
Energy: 0.5028309450933224
Energy: 0.46311105227709154
Energy: 0.5028309450933224
Energy: 0.511280955429371
Energy: 0.4995849553290052
Energy: 0.46562278818518804
Energy: 0.4995849553290052
Energy: 0.46547862271377455
Energy: 0.5135372866879279
Energy: 0.44939942385321724
Energy: 0.5135372866869954
Energy: 0.45387778528243267
Energy: 0.49893956026282354
Energy: 0.47968824960676804
Energy: 0.4989395602609588
Energy: 0.44236828804807554
Energy: 0.5137259762716159
Energy: 0.4670756939009357
Energy: 0.5137259762566981
Energy: 0.5132474823145776
Energy: 0.5074851803673756
Energy: 0.42914008915574875
Energy: 0.5074851803664432
Energy: 0.4474986688771675
Energy: 0.5000047145522967
Energy: 0.4259948662836406
Energy: 0.5000047145541614
Energy: 0.4228942296144026
Energy: 0.5100037267055851
Energy: 0.4340685802312928
Energy: 0.5100037267093146
Energy: 0.45743638317706237
Energy: 0.5088484760739547
Energy: 0.4361722303751798
Energy: 0.5088484760739547
Energy: 0.4405122436072575
Energy: 0.5104507976498153
Energy: 0.4419939488550193
Energy: 0.5104507976488829
Energy: 0.4471239832170932
Energy: 0.4988583207362217
Energy: 0.4254083477741427
Energy: 0.49885832073808645
Energy: 0.450028915166383
Energy: 0.5103333512342927
Energy: 0.4117015984000063
Energy: 0.510333351235225
Energy: 0.4547091308373751
Energy: 0.5032616343734749
Energy: 0.43600176368860194
Energy: 0.5032616343716103
Energy: 0.4284126550937635
Energy: 0.49883069075728337
Energy: 0.47372897405826553
Energy: 0.49883069075728337
Energy: 0.46597061003440793
Energy: 0.5284825125292588
Energy: 0.446361167233626
Energy: 0.5284825125292588
Energy: 0.49133038741841495
Energy: 0.4982371736137116
Energy: 0.4351543991832766
Energy: 0.49823717361184694
Energy: 0.4735927502569644
Energy: 0.49939173642896073
Energy: 0.46085842899434354
Energy: 0.49939173643639856
Energy: 0.4589861045042809
Energy: 0.5209775067593058
Energy: 0.5063872096230575
Energy: 0.5209775067602382
Energy: 0.47031911752097877
Energy: 0.5040901393198821
Energy: 0.46658895893800373
Energy: 0.5040901393273409
Energy: 0.5283231788959264
Energy: 0.524532388675572
Energy: 0.45270528108365443
Energy: 0.524532388675572
Energy: 0.5059409250097656
Energy: 0.524054983064461
Energy: 0.47389400494990713
Energy: 0.524054983061664
Energy: 0.4484408599877607
Energy: 0.5619477599954751
Energy: 0.5525501536425051
Energy: 0.5619477599954751
Energy: 0.5129392514262282
Energy: 0.5480280469724575
Energy: 0.5001040247110957
Energy: 0.5480280469696605
Energy: 0.5729014575817861
Energy: 0.5599192323962051
Energy: 0.4320801471028871
Energy: 0.5599192323962051
Energy: 0.5426773950744328
Energy: 0.5279595440571129
Energy: 0.4740733298403288
Energy: 0.5279595440561805
Energy: 0.4407026283754885
Energy: 0.558892424144478
Energy: 0.5523364191411372
Energy: 0.5588924241435457
Energy: 0.46872620980886864
Energy: 0.5136693108421456
Energy: 0.4967935732632895
Energy: 0.5136693108430779
Energy: 0.5284181018024913
Energy: 0.5246977542869051
Energy: 0.4347910861959161
Energy: 0.5246977542859728
Energy: 0.5064349703810352
Energy: 0.49372379563241703
Energy: 0.437334304003712
Energy: 0.49372379563055235
Energy: 0.42530864853260647
Energy: 0.5220998524754358
Energy: 0.5065186192877753
Energy: 0.5220998524754358
Energy: 0.4574727617780138
Energy: 0.4878597365579649
Energy: 0.4686224245056456
Energy: 0.48785973656076204
Energy: 0.4889946209390002
Energy: 0.5075851924882799
Energy: 0.41795529134161696
Energy: 0.5075851924901447
Energy: 0.4802204864729175
Energy: 0.512744302303764
Energy: 0.43823762033968816
Energy: 0.5127443023056288
Energy: 0.3913034579938649
Energy: 0.5124859796212214
Energy: 0.4715528053642152
Energy: 0.5124859796193568
Energy: 0.4481462756285606
Energy: 0.5142762570257288
Energy: 0.47565878004432993
Energy: 0.514276257026661
Energy: 0.45528859881456046
Energy: 0.48412255113925057
Energy: 0.3993652507795082
Energy: 0.48412255114018293

minimum gb energy = 0.3913034579938649 eV
minimum distance =  2.30638687287009 Angstroms
sigma value = 113


========================================
theta = 90.0
========================================

Energy: 0.014210756814081809
Energy: 0.014803796695957688
Energy: 1.241888615056817
Energy: 0.014803796695280756
Energy: 0.015267914657223606
Energy: 0.23485973804336374
Energy: 0.015267914658617291
Energy: 0.23485973804336374
Energy: 1.241888615053313
Energy: 0.014803796695280756
Energy: 0.014210756814081809
Energy: 0.014803796695280756
Energy: 0.01526791465790054
Energy: 0.23485973804408047
Energy: 0.015267914659294222
Energy: 0.23485973804336374
Energy: 0.014210756814081809
Energy: 0.014803796695280756
Energy: 1.2418886150547066
Energy: 0.014803796695957688
Energy: 0.01526791465790054
Energy: 0.23485973804336374
Energy: 0.015267914658617291
Energy: 0.23485973804336374

minimum gb energy = 0.014210756814081809 eV
minimum distance =  2.35592815104729 Angstroms
sigma value = 1